Geometry & MOs

Info

ID:	189531
PubChem CID:	77868616
Reduced:	FN4O4H23C25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	8.51
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(3-amino-3-oxopropyl)sulfanylacetyl]amino]-3-(1-benzylimidazol-4-yl)propanoate

Drug info:

PubChemData

Smile

CC12CC(C(O1)(C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)CF)C)NC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations