Geometry & MOs

Info

ID:	240049
PubChem CID:	93575950
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-149.33
Dipole, Da:	3.7
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CN1C2=CC=CC=C2N=C1[C@@H](C)NC(=O)[C@H]3CCCO3

DOS

IR

Vibrations