Geometry & MOs

Info

ID:	240036
PubChem CID:	93575875
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	2.15
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations