Geometry & MOs

Info

ID:	240040
PubChem CID:	93575910
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	6.25
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-1-[1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NCC(C)C)NC(=O)[C@H]3CCCO3

DOS

IR

Vibrations