Geometry & MOs

Info

ID:	423168
PubChem CID:	135119043
Reduced:	N6O7C35H46 (1)
Stoich.:	A6B7C35D46 (1)
Weight, g/mol:	342.176585
ΔH_f, kcal/mol:	-292.34
Dipole, Da:	7.67
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-4-phenylthiophen-3-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(C=C2)OCCC3)C)CC4=CC=CC=C4

DOS

IR

Vibrations