Geometry & MOs

Info

ID:	416901
PubChem CID:	135090744
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	5.25
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-amino-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations