Geometry & MOs

Info

ID:	179466
PubChem CID:	76486274
Reduced:	ClNO5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	4.52
IP(EA), eV:	-10.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]-benzylamino]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1CC2C(C(C1O2)CC=CCCC(=O)O)C3=NC(=CO3)C(=O)Cl

DOS

IR

Vibrations