Geometry & MOs

Info

ID:

150263

PubChem CID:

53789951

Reduced:

NO2C14H20 (2)

Stoich.:

AB2C14D20 (2)

Weight, g/mol:

693.312226

ΔHf, kcal/mol:

-147.81

Dipole, Da:

3.47

IP(EA), eV:

 -8.7(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(4-methyl-2-oxochromene-7-carbonyl)carbamate

Drug info:

PubChemData

Smile

CCCCOCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCC=CC(=O)O

DOS

IR

Vibrations