Geometry & MOs

Info

ID:	158392
PubChem CID:	56463557
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	385.218784
ΔH_f, kcal/mol:	-149.29
Dipole, Da:	5.95
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C2CCN(CC2)C(=O)C3=C(N=C(S3)CC(C)C)C

DOS

IR

Vibrations