Geometry & MOs

Info

ID:

215636

PubChem CID:

85085015

Reduced:

SO13N16C49H64 (1)

Stoich.:

AB13C16D49E64 (1)

Weight, g/mol:

1116.701914

ΔHf, kcal/mol:

-379.14

Dipole, Da:

9.68

IP(EA), eV:

 -7.19(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[4-amino-2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CN=CN2)CS)CCCNC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC4=CNC5=CC=CC=C54)CC(=O)N

DOS

IR

Vibrations