Geometry & MOs

Info

ID:	349253
PubChem CID:	127274979
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	5.12
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CN2C=CC(=O)NC2=O)CC3=CSC=N3

DOS

IR

Vibrations