Geometry & MOs

Info

ID:	149732
PubChem CID:	53789407
Reduced:	IN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	350.206639
ΔH_f, kcal/mol:	30.91
Dipole, Da:	4.14
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-amino-3-(4-methoxyphenyl)propanoyl]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1CC1C(=C2CC2)NOCC(CNC3=CC=CC=C3I)O

DOS

IR

Vibrations