Geometry & MOs

Info

ID:	365398
PubChem CID:	127317797
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-212.99
Dipole, Da:	8.77
IP(EA), eV:	-9.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations