Geometry & MOs

Info

ID:	161726
PubChem CID:	57392454
Reduced:	SN6O8C31H52 (1)
Stoich.:	AB6C8D31E52 (1)
Weight, g/mol:	370.142976
ΔH_f, kcal/mol:	-407.4
Dipole, Da:	10.18
IP(EA), eV:	-9.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-quinolin-2-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)C

DOS

IR

Vibrations