Geometry & MOs

Info

ID:	153673
PubChem CID:	56312963
Reduced:	S2N4O4C21H28 (1)
Stoich.:	A2B4C4D21E28 (1)
Weight, g/mol:	445.218841
ΔH_f, kcal/mol:	-110.29
Dipole, Da:	6.07
IP(EA), eV:	-8.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCN(CC3)CC(=O)N(C)C

DOS

IR

Vibrations