Geometry & MOs

Info

ID:	152785
PubChem CID:	56311854
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	454.240248
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	7.95
IP(EA), eV:	-8.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations