Geometry & MOs

Info

ID:

219937

PubChem CID:

85165065

Reduced:

SN9O9C23H41 (1)

Stoich.:

AB9C9D23E41 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-426.62

Dipole, Da:

7.08

IP(EA), eV:

 -9.1(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-amino-3-(3,4-difluorophenyl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CSCNC(=O)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations