Geometry & MOs

Info

ID:	305490
PubChem CID:	124956650
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	282.115047
ΔH_f, kcal/mol:	35.43
Dipole, Da:	5.87
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC2=CN=CN12)[C@@H]3CCCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations