Geometry & MOs

Info

ID:	417199
PubChem CID:	135091627
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	2.5
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations