Geometry & MOs

Info

ID:	240107
PubChem CID:	93576169
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	432.14337
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	6.05
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations