Geometry & MOs

Info

ID:	346908
PubChem CID:	127271412
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	383.144967
ΔH_f, kcal/mol:	-168.6
Dipole, Da:	4.88
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(azepane-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C2CSC3(N2C(=O)CC3)C

DOS

IR

Vibrations