Geometry & MOs

Info

ID:	218137
PubChem CID:	85088937
Reduced:	NO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755527
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC23C(C1)CC(=O)N2CC[C+]4C3CC(=O)OC4

DOS

IR

Vibrations