Geometry & MOs

Info

ID:	179507
PubChem CID:	76490871
Reduced:	O3S3N9C18H25 (1)
Stoich.:	A3B3C9D18E25 (1)
Weight, g/mol:	569.248563
ΔH_f, kcal/mol:	60.52
Dipole, Da:	9.15
IP(EA), eV:	-9.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl-[5-(diaminomethylideneamino)-2-(2,2-diphenylacetyl)-2-[(2-ethoxy-2-oxoethyl)amino]pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C(=C(N2C(S1)C(C2=O)OC)C(=O)C(C)(C)C)CSC3=NN=NN3C)SC4=NN=NN4C

DOS

IR

Vibrations