Geometry & MOs

Info

ID:	133063
PubChem CID:	51471484
Reduced:	O2S2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	3.27
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(carbamoylamino)-N-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)C[C@@H](C3=CC=CS3)NC(=O)N

DOS

IR

Vibrations