Geometry & MOs

Info

ID:	313354
PubChem CID:	126614053
Reduced:	O2N5C30H37 (1)
Stoich.:	A2B5C30D37 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	4.57
IP(EA), eV:	-8.4(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dimethyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl] N-[[4-(1-aminocyclopropyl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1CC2=CC=C(C=C2)CN3C=C(C=N3)C)C)OC(=O)NCC4=C(C=C(C=C4C)CN)C

DOS

IR

Vibrations