Geometry & MOs

Info

ID:	175739
PubChem CID:	75942648
Reduced:	O4N5C22H31 (1)
Stoich.:	A4B5C22D31 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	5.65
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCCC(C3)C(=O)NCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations